Chemical Properties of Oxymetazoline (CAS 1491-59-4)

InChI

InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)

InChI Key

WYWIFABBXFUGLM-UHFFFAOYSA-N

Formula

C16H24N2O

SMILES

Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1

Molecular Weight¹

260.37

CAS

1491-59-4

Other Names

• Phenol, 3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethyl-
• Phenol, 6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl-
• Hazol
• Iliadin
• Nafrine
• Navisin
• Nezeril
• Oxylazine
• Oxymethazoline
• Oxymetozoline
• Sinerol
• Phenol, 6-t-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl-
• 6-t-Butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethylphenol
• 3-[(4,5-Dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethylphenol
• 6-tert-Butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethylphenol
• H-990
• Navasin
• Rhinofrenol
• Rhinolitan
• 2-(4-tert-Butyl-2,6-dimethyl-3-hydroxybenzyl)-2-imidazoline

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	36.86	kJ/mol	Joback Calculated Property
IE	8.36	eV	NIST
logPoct/wat	2.851		Crippen Calculated Property
McVol	223.210	ml/mol	McGowan Calculated Property
Inp	[2123.00; 2170.00]
Inp	2123.00		NIST
Inp	2170.00		NIST
Inp	2168.00		NIST
Inp	2168.00		NIST
Inp	2123.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[308.85; 769.18]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.65590e+01
Coefficient B			1.60968e+00
Coefficient C			-1.07204e-03
Coefficient D			2.88100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	308.85	J/mol×K	273.00	Calculated Property
Cp,gas	391.49	J/mol×K	353.78	Calculated Property
Cp,gas	464.14	J/mol×K	434.56	Calculated Property
Cp,gas	527.69	J/mol×K	515.33	Calculated Property
Cp,gas	583.07	J/mol×K	596.11	Calculated Property
Cp,gas	631.18	J/mol×K	676.89	Calculated Property
Cp,gas	672.94	J/mol×K	757.67	Calculated Property
Cp,gas	709.25	J/mol×K	838.44	Calculated Property
Cp,gas	741.03	J/mol×K	919.22	Calculated Property
Cp,gas	769.18	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Oxymetazoline.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.